BAY 73-6691 - ≥99% , CAS No.794568-92-6

CAS: 794568-92-6 Cat. No.: B649392 Molecular Weight: 356.73 EC Number: 622-056-0 PubChem CID: 135541419
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
SCHEMBL534220 | MS-25592 | 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1-(2-chlorophenyl)-1,5-dihydro-6-((2R)-3,3,3-trifluoro-2-methylpropyl)- | 1-(2-Chlorophenyl)-6-[(2r)-3,3,3-Trifluoro-2-Methylpropyl]-1,7-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One | 1-(2-Chlorop
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
5mg
B649392-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$300.90
10mg
B649392-10mg
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$500.90
25mg
B649392-25mg
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$1,060.90
50mg
B649392-50mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$1,820.90
100mg
B649392-100mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$3,000.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

BAY 73-6691 ((R)-BAY 73-6691) is a potent, brain penetrant, and selective PDE9A inhibitor

In Vitro

The BAY 73-6691 dose-dependently alleviates cell viability loss due to Aβ 25-35 treatment. It is found that when SH-SY5Y cells are cultured by Aβ 25-35 , a high degree of cell apoptosis is observed, while additional stimulation with BAY 73-6691 causes attenuation of cell apoptosis.? BAY 73-6691 dose-dependently attenuates oxidative stress induced by Aβ 25-35 , and BAY 73-6691 at 200 μg/mL almost neutralizes Aβ 25-35 -induced oxidative damage. The BAY 73-6691 attenuates Aβ 25-35 -induced increase of apoptosis cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

BAY 73-6691 dose-dependently improves the acquisition performance in the Aβ 25-35 -injected mice on days 7 to 10 (day 7, F (5,54) =65.153; day 8, F (5,54) =62.340; day 9, F (5,54) =37.529; day 10, F (5,54) =38.624; P<0.001). BAY 73-6691 at 3 mg/kg can almost completely abolish the prolongation of escape-latency on days 9 to 10.? BAY 73-6691 dose-dependently elevates the Aβ 25-35 -induced decrease of the dwell time on the 10th day post Aβ 25-35 injection (day 10, F (5,54) =27.360, P<0.001). Results reveal that the Aβ 25-35 injection and BAY 73-6691 treatment cause no influence on the swimming speed. Treatment with BAY 73-6691 does not cause detectable alteration of spatial memory in sham mice. BAY 73-6691 alleviates Aβ 25-35 -induced abnormalities of the above indices. The BAY 73-6691 causes no influence on the four indices mentioned above in sham mice. The BAY 73-6691 has no significant effect on the apoptosis of hippocampal neurons in sham mice . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:PDE9

Specifications

Synonyms
SCHEMBL534220 | MS-25592 | 4H-Pyrazolo(3, 4-d)pyrimidin-4-one, 1-(2-chlorophenyl)-1, 5-dihydro-6-((2R)-3, 3, 3-trifluoro-2-methylpropyl)- | 1-(2-Chlorophenyl)-6-[(2r)-3, 3, 3-Trifluoro-2-Methylpropyl]-1, 7-Dihydro-4h-Pyrazolo[3, 4-D]pyrimidin-4-One | 1-(2-Chlorop
Specifications & Purity
≥99%
Biochemical and Physiological Mechanisms
BAY 73-6691 ((R)-BAY 73-6691) is a potent, brain penetrant, and selective PDE9A inhibitor.
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type
INHIBITOR
Purity
≥99%
Names and Identifiers
Canonical SmilesCC(CC1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=O)N1)C(F)(F)F
IUPAC Name1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-5H-pyrazolo[3,4-d]pyrimidin-4-one
InChIKeyFFPXPXOAFQCNBS-MRVPVSSYSA-N
INCHI1S/C15H12ClF3N4O/c1-8(15(17,18)19)6-12-21-13-9(14(24)22-12)7-20-23(13)11-5-3-2-4-10(11)16/h2-5,7-8H,6H2,1H3,(H,21,22,24)/t8-/m1/s1
Isomeric SMILES C[C@H](CC1=NC2=C(C=NN2C3=CC=CC=C3Cl)C(=O)N1)C(F)(F)F
PubChem CID 135541419
Molecular Weight 356.73

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassAzoles
SubclassPyrazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylpyrazoles
Alternative Parents Pyrazolo[3,4-d]pyrimidines  Pyrimidones  Chlorobenzenes  Aryl chlorides  Vinylogous amides  Heteroaromatic compounds  Lactams  Azacyclic compounds  Alkyl fluorides  Organic oxides  Hydrocarbon derivatives  Organochlorides  Organofluorides  Organonitrogen compounds  Organooxygen compounds  Organic anions  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylpyrazole - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Lactam - Azacycle - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic anion - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
PDE9A Tchem High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PDE1B Tclin Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilityDMSO : 160 mg/mL (448.52 mM; Need ultrasonic and warming)
Molecular Weight356.730 g/mol
XLogP33.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass356.065 Da
Monoisotopic Mass356.065 Da
Topological Polar Surface Area59.300 Ų
Heavy Atom Count24
Formal Charge0
Complexity527.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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